N,6-bis(1-adamantyl)-3-azanyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: N,6-bis(1-adamantyl)-3-azanyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide Openeye Name: N,6-bis(1-adamantyl)-3-amino-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide CAS Name: N,6-bis(1-adamantyl)-3-amino-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: N,6-bis(1-adamantyl)-3-amino-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide Traditional Name: N,6-bis(1-adamantyl)-3-amino-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide Formula: C29H34F3N3OS MolecularWeight: 529.65997

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC5=C(C(=C4)C(F)(F)F)C(=C(S5)C(=O)NC67CC8CC(C6)CC(C8)C7)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC5=C(C(=C4)C(F)(F)F)C(=C(S5)C(=O)NC67CC8CC(C6)CC(C8)C7)N

InChI

InChI=1S/C29H34F3N3OS/c30-29(31,32)20-7-21(27-8-14-1-15(9-27)3-16(2-14)10-27)34-26-22(20)23(33)24(37-26)25(36)35-28-11-17-4-18(12-28)6-19(5-17)13-28/h7,14-19H,1-6,8-13,33H2,(H,35,36)